4-[(2-chlorophenyl)carbamoyl]phthalic acid; zirconium

Systemtic Name: 4-[(2-chlorophenyl)carbamoyl]phthalic acid; zirconium Openeye Name: 4-[(2-chlorophenyl)carbamoyl]phthalic acid; zirconium CAS Name: 4-[(2-chloroanilino)-oxomethyl]phthalic acid; zirconium IUPAC Name: 4-[(2-chlorophenyl)carbamoyl]phthalic acid; zirconium Traditional Name: 4-[(2-chlorophenyl)carbamoyl]phthalic acid; zirconium Formula: C30H20Cl2N2O10Zr MolecularWeight: 730.6172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)Cl.C1=CC=C(C(=C1)NC(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)Cl.[Zr]

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)Cl.C1=CC=C(C(=C1)NC(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)Cl.[Zr]

InChI

InChI=1S/2C15H10ClNO5.Zr/c2*16-11-3-1-2-4-12(11)17-13(18)8-5-6-9(14(19)20)10(7-8)15(21)22;/h2*1-7H,(H,17,18)(H,19,20)(H,21,22);